A systematic study of key elements underlying molecular property prediction
Abstract Artificial intelligence (AI) has been widely applied in drug discovery with a major task as molecular property prediction. Despite booming techniques in molecular representation learning, key elements underlying molecular property prediction remain largely unexplored, which impedes further...
| 出版年: | Nature Communications |
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| 主要な著者: | , , , , , |
| フォーマット: | 論文 |
| 言語: | 英語 |
| 出版事項: |
Nature Portfolio
2023-10-01
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| オンライン･アクセス: | https://doi.org/10.1038/s41467-023-41948-6 |